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Geometry for CH3MgBr (Methyl Magnesium Bromide) 1A1 C3V

1910171554
InChI=1S/CH3.BrH.Mg/h1H3;1H;/q;;+1/p-1 INChIKey=

B3PW91/STO-3G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -3.0173   0.0000 -3.0173 0.0000
Mg2 0.0000 0.0000 -1.0487   0.0000 -1.0487 0.0000
Br3 0.0000 0.0000 1.1714   0.0000 1.1714 0.0000
H4 0.0000 1.0144 -3.4369   1.0144 -3.4369 0.0000
H5 0.8785 -0.5072 -3.4369   -0.5072 -3.4369 0.8785
H6 -0.8785 -0.5072 -3.4369   -0.5072 -3.4369 -0.8785
Atom - Atom Distances (Å)
  C1 Mg2 Br3 H4 H5 H6
C1 1.9686 4.1887 1.0977 1.0977 1.0977
Mg2 1.9686 2.2200 2.5947 2.5947 2.5947
Br3 4.1887 2.2200 4.7186 4.7186 4.7186
H4 1.0977 2.5947 4.7186 1.7569 1.7569
H5 1.0977 2.5947 4.7186 1.7569 1.7569
H6 1.0977 2.5947 4.7186 1.7569 1.7569
Maximum atom distance is 4.7186Å between atoms Br3 and H5.
picture of Methyl Magnesium Bromide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 Mg2 Br3 180.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Mg2 C1 H4 112.474 Mg2 C1 H5 112.474
Mg2 C1 H6 112.474 H4 C1 H5 106.309
H4 C1 H6 106.309 H5 C1 H6 106.309

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.